2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide

C15H17ClN2O — CID 110721086

IUPAC2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCCn1cccc1
InChIInChI=1S/C15H17ClN2O/c16-14-6-3-5-13(11-14)12-15(19)17-7-4-10-18-8-1-2-9-18/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,17,19)
InChIKeyCQXZXVUWGKKEEV-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.89
Rot. Bonds6

About 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide

2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide (PubChem CID 110721086) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
PubChem CID110721086
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCCCn1cccc1
InChIInChI=1S/C15H17ClN2O/c16-14-6-3-5-13(11-14)12-15(19)17-7-4-10-18-8-1-2-9-18/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,17,19)
InChIKeyCQXZXVUWGKKEEV-UHFFFAOYSA-N
XLogP2.89
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62505682
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
2-(3-chlorophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119509114
N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 108932591
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
CID 114297493
N-(3-pyrrol-1-ylpropyl)-2-thiophen-2-ylacetamide
CID 90500614
N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
CID 119405733
N-[2-oxo-2-(3-pyrrol-1-ylpropylamino)ethyl]benzamide
CID 90500499
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide (CID 110721086) is 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide is O=C(Cc1cccc(Cl)c1)NCCCn1cccc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
The InChIKey is CQXZXVUWGKKEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-14-6-3-5-13(11-14)12-15(19)17-7-4-10-18-8-1-2-9-18/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,17,19).
What are the key properties of 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide?
2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide has a molecular weight of 276.77 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(3-pyrrol-1-ylpropyl)acetamide is sourced from PubChem (CID 110721086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).